CID 44118674

1-(4-iodophenyl)-4-methylpiperazine

Structural Information

Molecular Formula
C11H15IN2
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)I
InChI
InChI=1S/C11H15IN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKey
WHDKRPSSEZGGMR-UHFFFAOYSA-N
Compound name
1-(4-iodophenyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

302.028 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.03528 146.8
[M+Na]+ 325.01722 146.2
[M-H]- 301.02072 142.8
[M+NH4]+ 320.06182 158.5
[M+K]+ 340.99116 149.0
[M+H-H2O]+ 285.02526 134.8
[M+HCOO]- 347.02620 160.1
[M+CH3COO]- 361.04185 192.8
[M+Na-2H]- 323.00267 140.2
[M]+ 302.02745 140.0
[M]- 302.02855 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe